4-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid

Systemtic Name: 4-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid Openeye Name: 4-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid CAS Name: 4-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid IUPAC Name: 4-[3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]butanethioic S-acid Traditional Name: 4-(3-methylol-7-oxabicyclo[2.2.1]heptan-2-yl)thiobutyric acid Formula: C11H18O3S MolecularWeight: 230.32382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCCC(=O)S)CO

Isomeric SMILES

C1CC2C(C(C1O2)CCCC(=O)S)CO

InChI

InChI=1S/C11H18O3S/c12-6-8-7(2-1-3-11(13)15)9-4-5-10(8)14-9/h7-10,12H,1-6H2,(H,13,15)